ethyl (2R)-1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-28-20(27)17-11-7-8-12-23(17)18(25)13-29-21-22-16-10-6-5-9-15(16)19(26)24(21)14(2)3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3/t17-/m1/s1